Compound Identification
SMILES
CCCN1C[C@@H](CC2[C@H]1CC1=C(Br)NC3=CC=CC2=C13)C(=O)OC
InChIKey
InChIKey=JOKQBJFNUHCCFZ-UJBKNGIVSA-N
Formula
C19H23BrN2O2
Mass
391.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Lysergic acids and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Lysergic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lysergic acids and derivatives
Alternative Parents
Indoloquinolines Benzoquinolines Pyrroloquinolines 3-alkylindoles Piperidinecarboxylic acids Isoindoles and derivatives Aralkylamines Substituted pyrroles Aryl bromides Benzenoids Heteroaromatic compounds Methyl esters Trialkylamines Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Substituted pyrrole - Piperidine - Aryl bromide - Benzenoid - Aryl halide - Methyl ester - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Amine - Organobromide - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
External Descriptors
Not available